Coumaric acids and derivatives

Description:

Aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Cinnamic acids and derivatives ⮕ Hydroxycinnamic acids and derivatives ⮕ Coumaric acids and derivatives

Ethyl 3-(2-methoxyphenyl)acrylate
- ≥97%
Cas Number: 33877-05-3 EC Number: ‘246-219-7; 251-710-4

Formula: C₁₂H₁₄O₃ Molecular Weight: 206.24

IUPAC Name: ethyl (E)-3-(2-methoxyphenyl)prop-2-enoate

SMILES: CCOC(=O)C=CC1=CC=CC=C1OC

InChIKey: ATAFSLBAINHGTN-CMDGGOBGSA-N

InChI: InChI=1S/C12H14O3/c1-3-15-12(13)9-8-10-6-4-5-7-11(10)14-2/h4-9H,3H2,1-2H3/b9-8+

Synonyms: Ethyl (2E)-3-(2-methoxyphenyl)-2-propenoate | W11624 | DTXSID201264009 | EINECS 246-219-7 | EN300-1453815 | methoxy e...
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3-(5-Fluoro-2-methoxyphenyl)acrylic acid
- ≥98%
Cas Number: 157518-45-1 Compound CID: 9990258

Formula: C₁₀H₉FO₃ Molecular Weight: 196.18

IUPAC Name: (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoic acid

SMILES: COC1=C(C=C(C=C1)F)C=CC(=O)O

InChIKey: WWZPWGXNJORULY-GORDUTHDSA-N

InChI: InChI=1S/C10H9FO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+
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Isoacteoside
- 10mM in DMSO
Cas Number: 61303-13-7(DMSO)

Formula: C₂₉H₃₆O₁₅ Molecular Weight: 624.59

IUPAC Name: [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,show more

SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O

InChIKey: FNMHEHXNBNCPCI-QEOJJFGVSA-N

InChI: InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)1show more

Synonyms: Isoacteoside|61303-13-7|isoverbascoside|Isoacetoside|UNII-588LJK42AP|588LJK42AP|NSC-729649|[(2R,3R,4S,5R,6R)-6-[2-(3,...
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Minecoside
- ≥85%(LC/MS-ELSD)
Cas Number: 51005-44-8 Compound CID: 12002015

Formula: C₂₅H₃₀O₁₃ Molecular Weight: 538.5

IUPAC Name: [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yshow more

SMILES: COC1=C(C=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O

InChIKey: LRHHPZILMPIMIY-GGKKSNITSA-N

InChI: InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15show more

Synonyms: FS-9943 | Minecoside | Q27138142 | NCGC00180624-01 | NCGC00180624-03 | [(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-...
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Picroside III
- ≥95%
Cas Number: 64461-95-6 Compound CID: 24121289

Formula: C₂₅H₃₀O₁₃ Molecular Weight: 538.5

Synonyms: [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-diox...
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Sibiricose A5
- ≥95%
Cas Number: 107912-97-0 Compound CID: 6326020

Formula: C₂₂H₃₀O₁₄ Molecular Weight: 518.47

IUPAC Name: [(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-metshow more

SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O

InChIKey: ZPEADZHVGOCGKH-YQTDNFGYSA-N

InChI: InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26show more

Synonyms: SibiricoseA5 | (2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)...
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Sinapine
- 10mM in DMSO
Cas Number: 18696-26-9(DMSO) Compound CID: 5280385

Formula: C₁₆H₂₄N₁O₅ Molecular Weight: 310.37

IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium

SMILES: C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC

InChIKey: HUJXHFRXWWGYQH-UHFFFAOYSA-O

InChI: InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1

Synonyms: Sinapine|18696-26-9|O-sinapoylcholine|Sinapoylcholine|sinapin|Sinapine cation|trans-Sinapine|Sinapine ion|Sinapine [M...
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n-Octyl caffeate
- ≥98%
Cas Number: 478392-41-5

Formula: C₁₇H₂₄O₄ Molecular Weight: 292.37

IUPAC Name: octyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

SMILES: CCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O

InChIKey: RXIINIWPQBLXAP-PKNBQFBNSA-N

InChI: InChI=1S/C17H24O4/c1-2-3-4-5-6-7-12-21-17(20)11-9-14-8-10-15(18)16(19)13-14/h8-11,13,18-19H,2-7,12H2,1H3/b11-9+

Synonyms: Octyl(E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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Verbascoside
- 10mM in DMSO
Cas Number: 61276-17-3 Compound CID: 5281800

Formula: C₂₉H₃₆O₁₅ Molecular Weight: 624.59

IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (show more

SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O

InChIKey: FBSKJMQYURKNSU-ZLSOWSIRSA-N

InChI: InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)1show more

Synonyms: Acteoside|Verbascoside|Kusaginin|61276-17-3|TJC 160|acetoside|Verbacoside|NSC 603831|TJC-160|UNII-3TGX09BD5B|3TGX09BD...
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Tenuifoliside C
- ≥98%
Cas Number: 139726-37-7 Compound CID: 11968391

Formula: C₃₅H₄₄O₁₉ Molecular Weight: 768.7

IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoshow more

SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)CO)O)O)O

InChIKey: PMGMZCFZCYRJAG-KQTMLTHJSA-N

InChI: InChI=1S/C35H44O19/c1-45-19-10-17(11-20(46-2)27(19)40)6-8-25(38)50-15-24-28(41)30(43)31(44)34(51-24)54-35(16-37)33(29(42)23(14-36)53-35)52-26(39)9-7-1show more

Synonyms: Tenuifoliside C|139726-37-7|(-)-Tenuifoliside C|LVZ4W45F47|alpha-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimetho...
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Tenuifoliside A
Cas Number: 139726-35-5 Compound CID: 46933844

Formula: C₃₁H₃₈O₁₇ Molecular Weight: 682.6

IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoshow more

SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)CO)O

InChIKey: BBUQNXDJRVCZTI-FNUXIAMKSA-N

InChI: InChI=1S/C31H38O17/c1-41-18-10-15(11-19(42-2)27(18)43-3)4-9-22(35)46-28-24(37)20(12-32)47-31(28,14-33)48-30-26(39)25(38)23(36)21(45-30)13-44-29(40)16-show more

Synonyms: NCGC00347659-02 | NCGC00347659-02_C31H38O17_3-O-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl ...

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Sibiricose A5
- 10mM in DMSO
Cas Number: 107912-97-0 Compound CID: 6326020

Formula: C₂₂H₃₀O₁₄ Molecular Weight: 518.47

IUPAC Name: [(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-metshow more

SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O

InChIKey: ZPEADZHVGOCGKH-YQTDNFGYSA-N

InChI: InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26show more

Synonyms: SibiricoseA5 | (2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)...
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